Published May 1, 1987
| Version v1
Journal article
High-order correction to the Trotter expansion for use in computer simulation
Creators
- 1. Department of Physics, SUNY at Stony Brook, Stony Brook, New York 11794
Description
A convenient form of the generalized Trotter formula for path-integral simulations has been investigated for various systems and proves to be much better than the primitive. The hydrogen atom, which is pathological for the primitive algorithm, is solved by the new method but the results are not completely satisfactory
Additional details
Publishing Information
- Journal Title
- J. Chem. Phys.
- Journal Volume
- 86
- Journal Issue
- 9
- Series
- J. Chem. Phys.
- Journal Page Range
- 5094-5100
- ISSN
- 0021-9606
- CODEN
- JCPSA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 18058575
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ALGORITHMS; COMPUTERIZED SIMULATION; ELECTRONIC STRUCTURE; HYDROGEN; SERIES EXPANSION
- Descriptors DEC
- ELEMENTS; NONMETALS; SIMULATION